3-(1,3-benzoxazol-2-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O2/c1-17-6-2-3-7-18(17)16-24-12-14-25(15-13-24)22(26)11-10-21-23-19-8-4-5-9-20(19)27-21/h2-9H,10-16H2,1H3/p+1